⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL244127 | 0.94 | — | — | |
| SCHEMBL7747487 | 0.92 | HTT (0.45) | — | |
| Hydrochloric Acid SCHEMBL27321583 | 0.92 | HTT (0.41) | — | |
| SCHEMBL1259794 | 0.92 | HTT (0.45) | — | |
| SCHEMBL7749230 | 0.92 | HTT (0.45) | — | |
| SCHEMBL15282042 | 0.92 | HTT (0.45) | — | |
| SCHEMBL7749096 | 0.92 | HTT (0.45) | — | |
| Hydrochloric Acid SCHEMBL27317890 | 0.90 | HTT (0.44) | — | |
| Hydrochloric Acid SCHEMBL27543811 | 0.90 | HTT (0.44) | — | |
| SCHEMBL337968 | 0.88 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181196-A | Compound for inhibiting and degrading PARP enzyme, preparation method and pharmaceutical application thereof | 海思科医药集团股份有限公司 | 2022-03-15 | — | — | CN | claimed |
| CN-101684084-A | Tetracycline compounds containing carbamido | SHANDONG XUANZHU MEDICINE TECH | 2010-03-31 | — | — | CN | claimed |
| CN-114349748-A | Indazole derivative, preparation method and medical application thereof | 四川海思科制药有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-114181196-A | Compound for inhibiting and degrading PARP enzyme, preparation method and pharmaceutical application thereof | 海思科医药集团股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| US-11173144-B2 | Adrenergic receptor modulating compounds and methods of using the same | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2021-11-16 | — | — | US | disclosed |
| US-20200237724-A1 | ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2020-07-30 | — | — | US | disclosed |
| CN-110072857-A | 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-07-30 | — | — | CN | disclosed |
| EP-3454845-A1 | ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME | The Board of Trustees of the Leland Stanford Junior University (US) | 2019-03-20 | — | — | EP | disclosed |
| WO-2017197324-A1 | ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2017-11-16 | — | — | WO | disclosed |
| US-8445509-B2 | Fused heterocyclic derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-21 | — | — | US | disclosed |
| WO-2012172093-A1 | DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-12-20 | — | — | WO | disclosed |
| EP-2162445-A1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-03-17 | — | — | EP | disclosed |
| WO-2009136663-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-12 | — | — | WO | disclosed |
| US-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-25 | — | — | US | disclosed |
| WO-2009073788-A1 | COMPOSITIONS AND METHODS FOR TREATING MENOPAUSAL FEMALES | FIRESTONE LEIGH H (US) | 2009-06-11 | — | — | WO | disclosed |
| US-7514562-B2 | Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain | GLAXO GROUP LIMITED (GB) | 2009-04-07 | — | — | US | disclosed |
| WO-2008150015-A1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-11 | — | — | WO | disclosed |
| US-20060276447-A1 | Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain | GLAXO GROUP LIMITED (GB) | 2006-12-07 | — | — | US | disclosed |
| EP-1601665-A2 | UREA DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004078744-A2 | UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN | GLAXO GROUP LIMITED (GB) | 2004-09-16 | — | — | WO | disclosed |